SCHEMBL16885104

SCHEMBL16885104

CCSc1ccccc1-c1nc(NN)c2ncc(C)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ CCR1 P32246 2/20 0.33
▸ CCR5 P51681 2/20 0.33
▸ CCR8 P51685 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ CYP1A2 P05177 6/20 0.31
▸ CYP3A4 P08684 5/20 0.31
▸ CYP2D6 P10635 5/20 0.31
▸ USP2 O75604 3/20 0.31
▸ CLK4 Q9HAZ1 3/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16666586 0.85 ALOX5AP (0.36) ALOX5APFEN1NPC1ATMATR
SCHEMBL16885124 0.83 NPC1 (0.36) ALOX5APFEN1NPC1ATMATR
SCHEMBL16885126 0.80 ALDH1A1 (0.40) CYP1A2CYP3A4CYP2D6ALDH1A1MEN1
SCHEMBL16885128 0.78 NPC1 (0.42) ALOX5APFEN1NPC1ATMATR
SCHEMBL16885086 0.73 NPC1 (0.40) ALOX5APFEN1NPC1ATMATR
SCHEMBL16885101 0.73 PDE5A (0.48) CYP1A2CYP3A4CYP2D6USP2CLK4
SCHEMBL16885088 0.73 CYP1A1 (0.43) NPC1ATMATRCYP1A2MEN1
SCHEMBL16885091 0.72 LMNA (0.43) ALOX5APFEN1NPC1ATMADORA3
SCHEMBL16885113 0.72 PDE5A (0.43) ALOX5APFEN1NPC1ADORA3ADORA2A
SCHEMBL16885076 0.71 GRM2 (0.39) ALOX5APFEN1NPC1ATMADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328121-B1 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-05-03 — — US disclosed
US-20160102100-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-04-14 — — US disclosed
US-9260436-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-02-16 — — US disclosed
US-20150191474-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160102100-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, CYP4B1, NR1H4 ALOX5AP 1753/4885FEN1 3562/4885NPC1 769/4885
US-20150191474-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR0B1, NR0B2 ALOX5AP 2352/4885FEN1 3267/4885NPC1 2337/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback